(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C15H17BrN4OS MolecularWeight: 381.29068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)SC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C15H17BrN4OS/c1-10(14(21)20-8-4-5-9-20)22-15-17-13(18-19-15)11-6-2-3-7-12(11)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,18,19)/t10-/m1/s1